HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Phenylisobutyric acid → HCID 66590192, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 2-Phenylisobutyric acid | HCID 13222 | — |
| Reactant | (S)-2-Phenylbutyric acid | HCID 785329 | — |
| Reactant | (3aS,4R,6aR)-2-benzyloctahydrocyclopenta[c]pyrrol-4-amine | HCID 25918977 | — |
| Product | HCID 66590192 | HCID 66590192 | — |
Reaction Steps
The title compound was prepared by substituting (3aR,4S,6aS)-2-benzyloctahydrocyclopenta[c]pyrrol-4-amine from Step A of Example 33 for (3aS,4R,6aR)-2-benzyloctahydrocyclopenta[c]pyrrol-4-amine and 2-methyl-2-phenylpropanoic acid for (S)-2-phenylbutanoic acid in Step F of the procedure used to prepare Example 16: 1H NMR (400 MHz, pyridine-d5) δ ppm 7.49-7.38 (m, 4H), 7.31 (ddd, J=7.3, 14.4, 22.5, 5H), 7.08 (d, J=7.3, 1H), 4.46-4.35 (m, 1H), 3.58 (d, J=13.2, 1H), 3.43 (d, J=13.2, 1H), 2.84 (d, J=6.7, 1H), 2.36 (d, J=4.8, 3H), 2.31 (d, J=9.6, 1H), 2.21-2.13 (m, 1H), 2.04 (td, J=5.9, 11.7, 1H), 1.70 (dd, J=6.7, 12.3, 1H), 1.67 (s, 6H), 1.53-1.41 (m, 1H), 1.38-1.26 (m, 1H); MS (ESI+) m/z 363 (M+H)+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08691865B2 |
| Source dataset | uspto-grants-2014_04 |
| ORD ID | ord-310bdad6f28e48f2808da3797848669b |
| Source note | uspto-grants-2014_04 |